General Information of the Compound
| Compound ID |
CP0445413
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| Compound Name |
N-[[4-(8,10-dioxo-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaen-15-yl)-1,3-thiazol-2-yl]methyl]butanamide
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| Structure |
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| Formula |
C25H22N4O3S
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| Molecular Weight |
458.543
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| Canonical SMILES |
CCCC(=O)NCc1nc(cs1)-c1ccc2[nH]c3c4CCCc4c4C(=O)NC(=O)c4c3c2c1
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| InChI |
InChI=1S/C25H22N4O3S/c1-2-4-18(30)26-10-19-27-17(11-33-19)12-7-8-16-15(9-12)20-22-21(24(31)29-25(22)32)13-5-3-6-14(13)23(20)28-16/h7-9,11,28H,2-6,10H2,1H3,(H,26,30)(H,29,31,32)
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| InChIKey |
VWVYKQCGYQYSBY-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound